3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea

C24H21F5N4O2 — CID 42705740

IUPAC3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
SMILESO=C(NCCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H21F5N4O2/c25-16-10-12-17(13-11-16)33(23(35)32-21-9-4-2-7-19(21)26)15-5-14-30-22(34)31-20-8-3-1-6-18(20)24(27,28)29/h1-4,6-13H,5,14-15H2,(H,32,35)(H2,30,31,34)
InChIKeyYGEDVWXVKYKSBU-UHFFFAOYSA-N
MW492.45 g/mol
LogP6.23
Rot. Bonds7

About 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea

3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea (PubChem CID 42705740) has the molecular formula C24H21F5N4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
PubChem CID42705740
Molecular FormulaC24H21F5N4O2
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC Name3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
SMILESO=C(NCCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H21F5N4O2/c25-16-10-12-17(13-11-16)33(23(35)32-21-9-4-2-7-19(21)26)15-5-14-30-22(34)31-20-8-3-1-6-18(20)24(27,28)29/h1-4,6-13H,5,14-15H2,(H,32,35)(H2,30,31,34)
InChIKeyYGEDVWXVKYKSBU-UHFFFAOYSA-N
XLogP6.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42702752
1-[3-[(4-ethoxyphenyl)carbamoylamino]propyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)urea
CID 42705745
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
1-(4-phenoxyphenyl)-3-phenyl-1-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42708779
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
3-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42705762
4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705698
3,4-dichloro-N-[2-[4-fluoro-N-[(2-fluorophenyl)carbamoyl]anilino]ethyl]benzamide
CID 3519796
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
1-[3-[(2,4-difluorophenyl)carbamoylamino]propyl]-3-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)urea
CID 42707075
3-(2-methoxyphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705271

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea?
The IUPAC name of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea (CID 42705740) is 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea is O=C(NCCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea?
The InChIKey is YGEDVWXVKYKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O2/c25-16-10-12-17(13-11-16)33(23(35)32-21-9-4-2-7-19(21)26)15-5-14-30-22(34)31-20-8-3-1-6-18(20)24(27,28)29/h1-4,6-13H,5,14-15H2,(H,32,35)(H2,30,31,34).
What are the key properties of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea?
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea has a molecular weight of 492.45 g/mol, XLogP of 6.23, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea is sourced from PubChem (CID 42705740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).